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7FHQ
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BU of 7fhq by Molmil
Solution structure of the pathogenic mutant G131V of Human prion protein (91-231)
Descriptor: Major prion protein
Authors:Zhang, H, Lin, D.
Deposit date:2021-07-29
Release date:2022-07-06
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the pathogenic mutant G131V of Human prion protein
To Be Published
7EDK
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BU of 7edk by Molmil
NMR solution structure of Bt14.12, a novel A-family conotoxin from Conus betulinus
Descriptor: Conotoxin Bt14.16
Authors:Zhang, H, Lin, D, Guo, C.
Deposit date:2021-03-16
Release date:2021-03-31
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure of peptide Bt14.12
To Be Published
7XB6
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BU of 7xb6 by Molmil
Crystal structure of the O-carbamoyltransferase VtdB in complex with carbamoyl adenylate intermediate
Descriptor: 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine, Carbamoyltransferase, MAGNESIUM ION
Authors:Zhang, H, Teng, Y.
Deposit date:2022-03-20
Release date:2023-03-22
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.901 Å)
Cite:Crystal structure of O-carbamoyltransferase VtdB from Streptomyces sp. NO1W98 in complex with carbamoyladenylate
To Be Published
7XVO
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BU of 7xvo by Molmil
a bacteria protein complex
Descriptor: CRISPR-associated endonuclease Cas9, Uncharacterized protein
Authors:Zhang, H, Li, X.Z, Song, G.Y.
Deposit date:2022-05-24
Release date:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:a bacteria protein
To Be Published
7PJ1
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BU of 7pj1 by Molmil
Solution structure of isolated Drosophila histone H2A-H2B heterodimer
Descriptor: Histone H2A, Histone H2B
Authors:van Ingen, H, Zhang, H.
Deposit date:2021-08-23
Release date:2021-12-08
Method:SOLUTION NMR
Cite:Mapping the electrostatic potential of the nucleosome acidic patch.
Sci Rep, 11, 2021
5H21
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BU of 5h21 by Molmil
Trimethoxy-ring inhibitor in complex with the first bromodomain of BRD4
Descriptor: 3,4,5-trimethoxy-~{N}-(2-thiophen-2-ylethyl)benzamide, Bromodomain-containing protein 4
Authors:Zhang, H, Luo, C.
Deposit date:2016-10-13
Release date:2017-07-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Discovery of novel trimethoxy-ring BRD4 bromodomain inhibitors: AlphaScreen assay, crystallography and cell-based assay.
Medchemcomm, 8, 2017
3PCU
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BU of 3pcu by Molmil
Crystal structure of human retinoic X receptor alpha ligand-binding domain complexed with LX0278 and SRC1 peptide
Descriptor: 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Zhang, H, Zhang, Y, Shen, H, Chen, J, Li, C, Chen, L, Hu, L, Jiang, H, Shen, X.
Deposit date:2010-10-22
Release date:2011-11-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:(+)-Rutamarin as a Dual Inducer of Both GLUT4 Translocation and Expression Efficiently Ameliorates Glucose Homeostasis in Insulin-Resistant Mice.
Plos One, 7, 2012
5WUU
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BU of 5wuu by Molmil
Complex structure of the first bromodomain of BRD4 with an inhibitor that containing a 2H-chromen-2-one ring
Descriptor: Bromodomain-containing protein 4, ~{N}-methyl-~{N}-[3-[(2-oxidanylidenechromen-4-yl)amino]propyl]thiophene-2-carboxamide
Authors:Zhang, H, Sun, Z.Y.
Deposit date:2016-12-21
Release date:2017-04-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.724 Å)
Cite:Discovery of novel BRD4 inhibitors by high-throughput screening, crystallography, and cell-based assays.
Bioorg. Med. Chem. Lett., 27, 2017
4CT2
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BU of 4ct2 by Molmil
Human PDK1-PKCzeta Kinase Chimera
Descriptor: 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, DITHIANE DIOL, ...
Authors:Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M.
Deposit date:2014-03-11
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound.
Chem.Biol., 21, 2014
8I88
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BU of 8i88 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA complex
Descriptor: Piwi domain-containing protein, RNA (5'-R(P*GP*A)-3'), TIR domain-containing protein
Authors:Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S.
Deposit date:2023-02-03
Release date:2023-07-05
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
4CT1
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BU of 4ct1 by Molmil
Human PDK1-PKCzeta Kinase Chimera in Complex with Allosteric Compound PS315 Bound to the PIF-Pocket
Descriptor: (2Z)-3-(biphenyl-4-yl)-5-(4-chlorophenyl)pent-2-enoic acid, 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE 1, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Schulze, J.O, Zhang, H, Lopez-Garcia, L.A, Biondi, R.M.
Deposit date:2014-03-11
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Mechanism of Regulation of the Atypical Protein Kinase C by N-Terminal Domains and an Allosteric Small Compound.
Chem.Biol., 21, 2014
8ITE
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BU of 8ite by Molmil
Crystal structure of pE301R from African swine fever virus
Descriptor: Uncharacterized protein E301R
Authors:Zhang, H, Li, Y.H.
Deposit date:2023-03-22
Release date:2023-09-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The E301R protein of African swine fever virus functions as a sliding clamp involved in viral genome replication.
Mbio, 14, 2023
2W8K
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BU of 2w8k by Molmil
Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in syn orientation
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*N2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L, Zhang, H, Egli, M, Guengerich, F.P.
Deposit date:2009-01-16
Release date:2009-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Versatility of Y-Family Sulfolobus Solfataricus DNA Polymerase Dpo4 in Translesion Synthesis Past Bulky N2-Alkylguanine Adducts.
J.Biol.Chem., 284, 2009
2W9C
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BU of 2w9c by Molmil
Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dTTP
Descriptor: 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*DOCP)-3', 5'-D(*TP*CP*AP*CP*O2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ...
Authors:Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P.
Deposit date:2009-01-22
Release date:2009-05-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
2W9A
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BU of 2w9a by Molmil
Ternary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA with incoming dGTP
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*O2GP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P.
Deposit date:2009-01-22
Release date:2009-05-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
2W8L
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BU of 2w8l by Molmil
Y-family DNA polymerase Dpo4 bypassing N2-naphthyl-guanine adduct in anti orientation
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOC)-3', 5'-D(*TP*CP*AP*CP*N2GP*GP*AP*AP*TP*CP *CP*TP*TP*CP*CP*CP*CP*C)-3', ...
Authors:Eoff, R.L, Zhang, H, Egli, M, Guengerich, F.P.
Deposit date:2009-01-16
Release date:2009-01-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Versatility of Y-Family Sulfolobus Solfataricus DNA Polymerase Dpo4 in Translesion Synthesis Past Bulky N2-Alkylguanine Adducts.
J.Biol.Chem., 284, 2009
2W9B
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BU of 2w9b by Molmil
Binary complex of Dpo4 bound to N2,N2-dimethyl-deoxyguanosine modified DNA
Descriptor: 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP *TP*TP*CP*DOCP)-3', 5'-D(*TP*CP*AP*TP*M2GP*GP*AP*AP*TP*CP*CP *TP*TP*CP*CP*CP*CP*C)-3', DNA POLYMERASE IV, ...
Authors:Eoff, R.L, Zhang, H, Kosekov, I.D, Rizzo, C.J, Egli, M, Guengerich, F.P.
Deposit date:2009-01-22
Release date:2009-05-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structure-Function Relationships in Miscoding by Sulfolobus Solfataricus DNA Polymerase Dpo4: Guanine N2,N2-Dimethyl Substitution Produces Inactive and Miscoding Polymerase Complexes.
J.Biol.Chem., 284, 2009
8GS4
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BU of 8gs4 by Molmil
Cryo-EM structure of human Neuroligin 2
Descriptor: Neuroligin-2
Authors:Zhang, H, Zhang, Z, Hou, M.
Deposit date:2022-09-04
Release date:2023-03-01
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Expression and structural analysis of human neuroligin 2 and neuroligin 3 implicated in autism spectrum disorders.
Front Endocrinol, 13, 2022
8GS3
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BU of 8gs3 by Molmil
Cryo-EM structure of human Neuroligin 3
Descriptor: Neuroligin-3
Authors:Zhang, H, Zhang, Z, Hou, M.
Deposit date:2022-09-04
Release date:2023-09-20
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Expression and structural analysis of human neuroligin 2 and neuroligin 3 implicated in autism spectrum disorders.
Front Endocrinol, 13, 2022
8I87
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BU of 8i87 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA-DNA complex
Descriptor: DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Zhang, H, Deng, Z.Q, Yu, G.M, Li, X.Z, Wang, X.S.
Deposit date:2023-02-03
Release date:2023-07-19
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
8IN8
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BU of 8in8 by Molmil
Cryo-EM structure of the target ssDNA-bound SIR2-APAZ/Ago-gRNA quaternary complex
Descriptor: DNA (5'-D(P*AP*AP*CP*GP*AP*CP*GP*TP*CP*TP*AP*AP*GP*AP*AP*AP*CP*CP*AP*TP*TP*AP*A)-3'), MAGNESIUM ION, Piwi domain protein, ...
Authors:Zhang, H, Li, Z, Yu, G.M, Li, X.Z, Wang, X.S.
Deposit date:2023-03-08
Release date:2023-07-05
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
6NIG
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BU of 6nig by Molmil
Crystal structure of the human TLR2-Diprovocim complex
Descriptor: (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Beutler, B.A, Tomchick, D.R, Su, L.
Deposit date:2018-12-27
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim.
J. Med. Chem., 62, 2019
6NMC
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BU of 6nmc by Molmil
CryoEM structure of the LbCas12a-crRNA-2xAcrVA1 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.24 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NMA
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BU of 6nma by Molmil
CryoEM structure of the LbCas12a-crRNA-AcrVA4 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019
6NMD
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BU of 6nmd by Molmil
cryo-EM Structure of the LbCas12a-crRNA-AcrVA1 complex
Descriptor: AcrVA1, Cpf1, MAGNESIUM ION, ...
Authors:Chang, L, Li, Z, Zhang, H.
Deposit date:2019-01-10
Release date:2019-06-12
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structural Basis for the Inhibition of CRISPR-Cas12a by Anti-CRISPR Proteins.
Cell Host Microbe, 25, 2019

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